(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide

C8H16FN3O3 — CID 144600499

IUPAC(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NC(C(=O)N(C)CF)[C@@H](C)O
InChIInChI=1S/C8H16FN3O3/c1-5(13)6(11-8(15)10-2)7(14)12(3)4-9/h5-6,13H,4H2,1-3H3,(H2,10,11,15)/t5-,6?/m1/s1
InChIKeyCBAHJPWVYMIGBH-LWOQYNTDSA-N
MW221.23 g/mol
LogP-0.95
Rot. Bonds4

About (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide

(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide (PubChem CID 144600499) has the molecular formula C8H16FN3O3 and a molecular weight of 221.23 g/mol. Its IUPAC name is (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide.

Molecular Properties

Compound Name(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
PubChem CID144600499
Molecular FormulaC8H16FN3O3
Molecular Weight221.23 g/mol
Exact Mass221.12
IUPAC Name(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NC(C(=O)N(C)CF)[C@@H](C)O
InChIInChI=1S/C8H16FN3O3/c1-5(13)6(11-8(15)10-2)7(14)12(3)4-9/h5-6,13H,4H2,1-3H3,(H2,10,11,15)/t5-,6?/m1/s1
InChIKeyCBAHJPWVYMIGBH-LWOQYNTDSA-N
XLogP-0.95
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
ethane;1-(2-hydroxy-4-oxopentan-3-yl)-3-methylurea;3-methyl-5-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]pentan-2-ol
CID 144600513
2-acetamido-N-(2-hydroxypropyl)-N,3-dimethylbutanamide
CID 62334399
(2S,3R)-2-[2-(dimethylcarbamoylamino)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966520
(2S,3R)-2-(2,2-difluoroethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966469
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
(2S,3R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxybutanoic acid
CID 104964394
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014380
(2S,3R)-3-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 104966438
(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
CID 89069924

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
The IUPAC name of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide (CID 144600499) is (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide.
What is the SMILES notation for (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
The canonical SMILES for (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide is CNC(=O)NC(C(=O)N(C)CF)[C@@H](C)O.
What is the InChIKey of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
The InChIKey is CBAHJPWVYMIGBH-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H16FN3O3/c1-5(13)6(11-8(15)10-2)7(14)12(3)4-9/h5-6,13H,4H2,1-3H3,(H2,10,11,15)/t5-,6?/m1/s1.
What are the key properties of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide has a molecular weight of 221.23 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide is sourced from PubChem (CID 144600499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).